rc = 4.5 delr = 0.1 augt1 = 0 erose_form = 2 ialloy = 2 zbl(1,1) = 0 nn2(1,1) = 1 attrac(1,1) = 0.05 repuls(1,1) = 0.05 Cmin(1,1,1) = 1.69 Cmax(1,1,1) = 2.8 Ec(1,1) = 3.91 re(1,1) = 2.75 zbl(2,2) = 0 nn2(2,2) = 1 attrac(2,2) = 0.05 repuls(2,2) = 0.05 Cmin(2,2,2) = 0.49 Cmax(2,2,2) = 2.8 Ec(2,2) = 3.36 re(2,2) = 2.86 zbl(1,2) = 0 nn2(1,2) = 1 rho0(1) = 1 rho0(2) = 1 Ec(1,2) = 4.245 re(1,2) = 2.58 alpha(1,2) = 5.29420825650716 attrac(1,2) = 0.05 repuls(1,2) = 0.05 Cmin(1,1,2) = 0.3 Cmin(2,2,1) = 0.3 Cmin(1,2,1) = 1 Cmin(1,2,2) = 1 Cmin(2,1,1) = 1 Cmin(2,1,2) = 1 Cmax(1,1,2) = 2.8 Cmax(2,2,1) = 1.44 Cmax(1,2,1) = 1.44 Cmax(1,2,2) = 2.8 Cmax(2,1,1) = 1.44 Cmax(2,1,2) = 2.8 lattce(1,2) = 'b2'